2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-4,4,6-trimethyl-3H-2,7-naphthyridin-1-one

C24H29N5O2 — CID 146641524

IUPAC2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-4,4,6-trimethyl-3H-2,7-naphthyridin-1-one
SMILESCc1cc2c(cn1)C(=O)N(CCN1CCN(c3noc4ccccc34)CC1)CC2(C)C
InChIInChI=1S/C24H29N5O2/c1-17-14-20-19(15-25-17)23(30)29(16-24(20,2)3)13-10-27-8-11-28(12-9-27)22-18-6-4-5-7-21(18)31-26-22/h4-7,14-15H,8-13,16H2,1-3H3
InChIKeyNIDOPQZKSIYGGT-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.09
Rot. Bonds4

About 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-4,4,6-trimethyl-3H-2,7-naphthyridin-1-one

2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-4,4,6-trimethyl-3H-2,7-naphthyridin-1-one (PubChem CID 146641524) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-4,4,6-trimethyl-3H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-4,4,6-trimethyl-3H-2,7-naphthyridin-1-one
PubChem CID146641524
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-4,4,6-trimethyl-3H-2,7-naphthyridin-1-one
SMILESCc1cc2c(cn1)C(=O)N(CCN1CCN(c3noc4ccccc34)CC1)CC2(C)C
InChIInChI=1S/C24H29N5O2/c1-17-14-20-19(15-25-17)23(30)29(16-24(20,2)3)13-10-27-8-11-28(12-9-27)22-18-6-4-5-7-21(18)31-26-22/h4-7,14-15H,8-13,16H2,1-3H3
InChIKeyNIDOPQZKSIYGGT-UHFFFAOYSA-N
XLogP3.09
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-4,4,6-trimethyl-3H-2,7-naphthyridin-1-one?
The IUPAC name of 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-4,4,6-trimethyl-3H-2,7-naphthyridin-1-one (CID 146641524) is 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-4,4,6-trimethyl-3H-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-4,4,6-trimethyl-3H-2,7-naphthyridin-1-one?
The canonical SMILES for 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-4,4,6-trimethyl-3H-2,7-naphthyridin-1-one is Cc1cc2c(cn1)C(=O)N(CCN1CCN(c3noc4ccccc34)CC1)CC2(C)C.
What is the InChIKey of 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-4,4,6-trimethyl-3H-2,7-naphthyridin-1-one?
The InChIKey is NIDOPQZKSIYGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-17-14-20-19(15-25-17)23(30)29(16-24(20,2)3)13-10-27-8-11-28(12-9-27)22-18-6-4-5-7-21(18)31-26-22/h4-7,14-15H,8-13,16H2,1-3H3.
What are the key properties of 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-4,4,6-trimethyl-3H-2,7-naphthyridin-1-one?
2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-4,4,6-trimethyl-3H-2,7-naphthyridin-1-one has a molecular weight of 419.53 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-4,4,6-trimethyl-3H-2,7-naphthyridin-1-one is sourced from PubChem (CID 146641524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).